2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate

C231H205Cl4F3N34O16S3 — CID 159871240

IUPAC2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
SMILESCCC1C(c2cc3ccccc3[nH]2)=C(C#N)c2ccc(OC)cc21.CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCNC(=O)c1ccc(-c2c(C#N)c3ccccc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCn1c(-c2ccc(C(=O)NC3CC3)cc2)c(C#N)c2ccccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc3c(c2)CCO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C21H20ClN3O2.2C21H19N3O.C21H18N2O.C20H18ClN3O2.C20H19N3O.C20H18N2O2.C18H16ClN3O2S.C18H16FN3O2S.C17H14ClN3.C17H14FN3O2S.C17H14FN3/c1-3-10-27-21(26)24-16-7-5-6-14(11-16)20-18(13-23)17-12-15(22)8-9-19(17)25(20)4-2;1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-2-24-19-6-4-3-5-17(19)18(13-22)20(24)14-7-9-15(10-8-14)21(25)23-16-11-12-16;1-3-15-17-11-14(24-2)8-9-16(17)18(12-22)21(15)20-10-13-6-4-5-7-19(13)23-20;1-3-24-18-9-8-14(21)11-16(18)17(12-22)19(24)13-6-5-7-15(10-13)23-20(25)26-4-2;1-3-22-20(24)15-11-9-14(10-12-15)19-17(13-21)16-7-5-6-8-18(16)23(19)4-2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;2*1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2;1-2-21-16-7-6-12(18)9-14(16)15(10-19)17(21)11-4-3-5-13(20)8-11;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(7-4-11)24(20,22)23;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h5-9,11-12H,3-4,10H2,1-2H3,(H,24,26);5-12H,4H2,1-3H3;3-10,16H,2,11-12H2,1H3,(H,23,25);4-11,15,23H,3H2,1-2H3;5-11H,3-4H2,1-2H3,(H,23,25);5-12H,3-4H2,1-2H3,(H,22,24);4-7,10-11H,3,8-9H2,1-2H3;2*4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3;3-9H,2H2,1H3,(H2,20,22,23);3-9H,2,20H2,1H3
InChIKeyNSJGTFARVKHDAD-UHFFFAOYSA-N
MW4008.41 g/mol
LogP51.59
Rot. Bonds41

About 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate

2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate (PubChem CID 159871240) has the molecular formula C231H205Cl4F3N34O16S3 and a molecular weight of 4008.41 g/mol. Its IUPAC name is 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
PubChem CID159871240
Molecular FormulaC231H205Cl4F3N34O16S3
Molecular Weight4008.41 g/mol
Exact Mass4003.41
IUPAC Name2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
SMILESCCC1C(c2cc3ccccc3[nH]2)=C(C#N)c2ccc(OC)cc21.CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCNC(=O)c1ccc(-c2c(C#N)c3ccccc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCn1c(-c2ccc(C(=O)NC3CC3)cc2)c(C#N)c2ccccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc3c(c2)CCO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C21H20ClN3O2.2C21H19N3O.C21H18N2O.C20H18ClN3O2.C20H19N3O.C20H18N2O2.C18H16ClN3O2S.C18H16FN3O2S.C17H14ClN3.C17H14FN3O2S.C17H14FN3/c1-3-10-27-21(26)24-16-7-5-6-14(11-16)20-18(13-23)17-12-15(22)8-9-19(17)25(20)4-2;1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-2-24-19-6-4-3-5-17(19)18(13-22)20(24)14-7-9-15(10-8-14)21(25)23-16-11-12-16;1-3-15-17-11-14(24-2)8-9-16(17)18(12-22)21(15)20-10-13-6-4-5-7-19(13)23-20;1-3-24-18-9-8-14(21)11-16(18)17(12-22)19(24)13-6-5-7-15(10-13)23-20(25)26-4-2;1-3-22-20(24)15-11-9-14(10-12-15)19-17(13-21)16-7-5-6-8-18(16)23(19)4-2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;2*1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2;1-2-21-16-7-6-12(18)9-14(16)15(10-19)17(21)11-4-3-5-13(20)8-11;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(7-4-11)24(20,22)23;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h5-9,11-12H,3-4,10H2,1-2H3,(H,24,26);5-12H,4H2,1-3H3;3-10,16H,2,11-12H2,1H3,(H,23,25);4-11,15,23H,3H2,1-2H3;5-11H,3-4H2,1-2H3,(H,23,25);5-12H,3-4H2,1-2H3,(H,22,24);4-7,10-11H,3,8-9H2,1-2H3;2*4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3;3-9H,2H2,1H3,(H2,20,22,23);3-9H,2,20H2,1H3
InChIKeyNSJGTFARVKHDAD-UHFFFAOYSA-N
XLogP51.59
TPSA736.75 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds41
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004008.41
LogP ≤ 551.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 159032896
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
CID 161682537
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile
CID 157149641
4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
CID 158245908
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile
CID 158300238
4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
CID 158705520
4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-ethylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-methylphenyl)urea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
CID 159231039
4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
CID 159808067
1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
CID 159821491
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
CID 160106965
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile
CID 161680518

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate?
The IUPAC name of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate (CID 159871240) is 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate?
The canonical SMILES for 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate is CCC1C(c2cc3ccccc3[nH]2)=C(C#N)c2ccc(OC)cc21.CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCNC(=O)c1ccc(-c2c(C#N)c3ccccc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCn1c(-c2ccc(C(=O)NC3CC3)cc2)c(C#N)c2ccccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc3c(c2)CCO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(Cl)ccc21.
What is the InChIKey of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate?
The InChIKey is NSJGTFARVKHDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2.2C21H19N3O.C21H18N2O.C20H18ClN3O2.C20H19N3O.C20H18N2O2.C18H16ClN3O2S.C18H16FN3O2S.C17H14ClN3.C17H14FN3O2S.C17H14FN3/c1-3-10-27-21(26)24-16-7-5-6-14(11-16)20-18(13-23)17-12-15(22)8-9-19(17)25(20)4-2;1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-2-24-19-6-4-3-5-17(19)18(13-22)20(24)14-7-9-15(10-8-14)21(25)23-16-11-12-16;1-3-15-17-11-14(24-2)8-9-16(17)18(12-22)21(15)20-10-13-6-4-5-7-19(13)23-20;1-3-24-18-9-8-14(21)11-16(18)17(12-22)19(24)13-6-5-7-15(10-13)23-20(25)26-4-2;1-3-22-20(24)15-11-9-14(10-12-15)19-17(13-21)16-7-5-6-8-18(16)23(19)4-2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;2*1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2;1-2-21-16-7-6-12(18)9-14(16)15(10-19)17(21)11-4-3-5-13(20)8-11;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(7-4-11)24(20,22)23;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h5-9,11-12H,3-4,10H2,1-2H3,(H,24,26);5-12H,4H2,1-3H3;3-10,16H,2,11-12H2,1H3,(H,23,25);4-11,15,23H,3H2,1-2H3;5-11H,3-4H2,1-2H3,(H,23,25);5-12H,3-4H2,1-2H3,(H,22,24);4-7,10-11H,3,8-9H2,1-2H3;2*4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3;3-9H,2H2,1H3,(H2,20,22,23);3-9H,2,20H2,1H3.
What are the key properties of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate?
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate has a molecular weight of 4008.41 g/mol, XLogP of 51.59, 41 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159871240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).